2-chloro-6-fluorothiobenzimidic acid methyl ester methyl sulfate | 265326-58-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-chloro-6-fluorothiobenzimidic acid methyl ester methyl sulfate
• 英文别名: methyl 2-chloro-6-fluorobenzthioimidate methylsulfate salt；methyl 2-chloro-6-fluorobenzenecarboximidothioate;methyl hydrogen sulfate
• CAS: 265326-58-7
• 化学式: CH₄O₄S*C₈H₇ClFNS
• 分子量: 315.774
• InChiKey: BYVQXZYGOAJTLY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  121
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  2-chloro-6-fluorothiobenzimidic acid methyl ester methyl sulfate 、 在 吡啶 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 48.0h， 以2.40 g的产率得到4,5-dibromo-3-chlorothiophene-2-carboxylic acid (2-chloro-6-fluorophenyl)methylsulfanylmethyleneamide
  参考文献：
  名称：

  Structure−Activity Relationship Development of Dihaloaryl Triazole Compounds as Insecticides and Acaricides. 1. Phenyl Thiophen-2-yl Triazoles

  摘要：

  An extended lipophilic system that incorporated some key elements of first-gene ration 2,6-dihaloaryl actives, such as 1, demonstrated desirable efficacy against chewing insects as well as sap-feeding insects. These four-ring systems, based on 2, were accessed primarily via Suzuki couplings of halothiophene derivatives with appropriately substituted boronic acids. In particular, phenylthiophene systems that incorporated haloxyether groups, such as those in 3, 4, and 5, had the broadest spectrum of activity across chewing and sap-feeding insect pests. Expansion of this structu re- activity relationship to include compounds with differing substitution patterns on the thiophene-C-ring and aryl-D-rings was undertaken. The synthesis and insecticidal activity of 3-aryl-5-(thiophen-2-yl)-l -methyl1 H-[1,2,4]triazoles will be described.

  DOI：

  10.1021/jf071498s
• 作为产物：
  描述：

  2-chloro-6-fluorobenzenecarbothioamide 在 硫酸二甲酯 作用下， 以 甲苯 为溶剂， 以96%的产率得到2-chloro-6-fluorothiobenzimidic acid methyl ester methyl sulfate
  参考文献：
  名称：

  Process for preparing 3-(substituted phenyl)-5-thienyl or furyl)-1,2,4-triazoles and novel intermediates utilized therein

  摘要：

  利用硫代亚胺中间体制备杀虫剂性3-(取代苯基)-5-(噻吩或呋喃基)-1,2,4-三唑的新合成方法。

  公开号：

  US06329528B1

文献信息

• PROCESS FOR PREPARING 3-(SUBSTITUTED PHENYL)-5-THIENYL OR FURYL)-1,2,4-TRIAZOLES AND NOVEL INTERMEDIATES UTILIZED THEREIN
  申请人：Dow Agrosciences LLC

  公开号：EP1123291A1

  公开（公告）日：2001-08-16
• US6329528B1
  申请人：——

  公开号：US6329528B1

  公开（公告）日：2001-12-11
• [EN] PROCESS FOR PREPARING 3-(SUBSTITUTED PHENYL)-5-THIENYL OR FURYL)-1,2,4-TRIAZOLES AND NOVEL INTERMEDIATES UTILIZED THEREIN<br/>[FR] PROCEDE DE PREPARATION DE 3-(PHENYLE SUBSTITUE)-5-(THIENYLE OU FURYLE)-1,2,4-TRIAZOLES ET INTERMEDIAIRES UTILISES PAR CES DERNIERS
  申请人：DOW AGROSCIENCES LLC

  公开号：WO2000024738A1

  公开（公告）日：2000-05-04

  New synthetic procedures for preparing insecticidal 3-(substituted phenyl)-5-(thienyl or furyl)-1,2,4-triazoles utilizing thioimidate intermediate.